N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one

C252H294F6N102O6 — CID 160678280

About N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one

N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one (PubChem CID 160678280) has the molecular formula C252H294F6N102O6 and a molecular weight of 4961.82 g/mol. Its IUPAC name is N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one.

Molecular Properties

• Compound Name: N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one
• PubChem CID: 160678280
• Molecular Formula: C252H294F6N102O6
• Molecular Weight: 4961.82 g/mol
• Exact Mass: 4958.57
• IUPAC Name: N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one
• SMILES: CCc1nc(Nc2nccc(-c3ccc(C)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(CO)c(CO)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(F)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(F)cc3F)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc4c(c3)CC(=O)CO4)n2)nc(N2CCNCC2)n1.CCc1nc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cccc(NC(C)=O)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cccc4ccccc34)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccncc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cnccn3)n2)nc(N2CCN(C)CC2)n1.[C-]#[N+]c1ccc(-c2ccnc(Nc3nc(CC)nc(N4CCN(C)CC4)n3)n2)cc1
• InChI: InChI=1S/C24H26N8.2C22H27N9O.C22H24N8O2.C22H28N8O2.C21H23F3N8.C21H23N9.C21H26N8.C20H22F2N8.C20H23FN8.C19H23N9.C18H22N10/c1-3-21-27-23(30-24(28-21)32-15-13-31(2)14-16-32)29-22-25-12-11-20(26-22)19-10-6-8-17-7-4-5-9-18(17)19;1-4-19-26-21(29-22(27-19)31-13-11-30(3)12-14-31)28-20-23-10-9-18(25-20)16-5-7-17(8-6-16)24-15(2)32;1-4-19-26-21(29-22(27-19)31-12-10-30(3)11-13-31)28-20-23-9-8-18(25-20)16-6-5-7-17(14-16)24-15(2)32;1-2-19-26-21(29-22(27-19)30-9-7-23-8-10-30)28-20-24-6-5-17(25-20)14-3-4-18-15(11-14)12-16(31)13-32-18;1-3-19-25-21(28-22(26-19)30-10-8-29(2)9-11-30)27-20-23-7-6-18(24-20)15-4-5-16(13-31)17(12-15)14-32;1-3-17-27-19(30-20(28-17)32-11-9-31(2)10-12-32)29-18-25-8-7-16(26-18)14-5-4-6-15(13-14)21(22,23)24;1-4-18-25-20(28-21(26-18)30-13-11-29(3)12-14-30)27-19-23-10-9-17(24-19)15-5-7-16(22-2)8-6-15;1-4-18-24-20(27-21(25-18)29-13-11-28(3)12-14-29)26-19-22-10-9-17(23-19)16-7-5-15(2)6-8-16;1-3-17-25-19(28-20(26-17)30-10-8-29(2)9-11-30)27-18-23-7-6-16(24-18)14-5-4-13(21)12-15(14)22;1-3-17-24-19(27-20(25-17)29-12-10-28(2)11-13-29)26-18-22-9-8-16(23-18)14-4-6-15(21)7-5-14;1-3-16-23-18(26-19(24-16)28-12-10-27(2)11-13-28)25-17-21-9-6-15(22-17)14-4-7-20-8-5-14;1-3-15-23-17(26-18(24-15)28-10-8-27(2)9-11-28)25-16-21-5-4-13(22-16)14-12-19-6-7-20-14/h4-12H,3,13-16H2,1-2H3,(H,25,26,27,28,29,30);5-10H,4,11-14H2,1-3H3,(H,24,32)(H,23,25,26,27,28,29);5-9,14H,4,10-13H2,1-3H3,(H,24,32)(H,23,25,26,27,28,29);3-6,11,23H,2,7-10,12-13H2,1H3,(H,24,25,26,27,28,29);4-7,12,31-32H,3,8-11,13-14H2,1-2H3,(H,23,24,25,26,27,28);4-8,13H,3,9-12H2,1-2H3,(H,25,26,27,28,29,30);5-10H,4,11-14H2,1,3H3,(H,23,24,25,26,27,28);5-10H,4,11-14H2,1-3H3,(H,22,23,24,25,26,27);4-7,12H,3,8-11H2,1-2H3,(H,23,24,25,26,27,28);4-9H,3,10-13H2,1-2H3,(H,22,23,24,25,26,27);4-9H,3,10-13H2,1-2H3,(H,21,22,23,24,25,26);4-7,12H,3,8-11H2,1-2H3,(H,21,22,23,24,25,26)
• InChIKey: RNUPTERONIOPKZ-UHFFFAOYSA-N
• XLogP: 28.33
• TPSA: 1172.30 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 105
• Rotatable Bonds: 64
• Heavy Atoms: 366
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4961.82
LogP ≤ 5	28.33
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	105

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one?

The IUPAC name of N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one (CID 160678280) is N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one.

What is the SMILES notation for N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one?

The canonical SMILES for N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one is CCc1nc(Nc2nccc(-c3ccc(C)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(CO)c(CO)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(F)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(F)cc3F)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccc4c(c3)CC(=O)CO4)n2)nc(N2CCNCC2)n1.CCc1nc(Nc2nccc(-c3cccc(C(F)(F)F)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cccc(NC(C)=O)c3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cccc4ccccc34)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3ccncc3)n2)nc(N2CCN(C)CC2)n1.CCc1nc(Nc2nccc(-c3cnccn3)n2)nc(N2CCN(C)CC2)n1.[C-]#[N+]c1ccc(-c2ccnc(Nc3nc(CC)nc(N4CCN(C)CC4)n3)n2)cc1.

What is the InChIKey of N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one?

The InChIKey is RNUPTERONIOPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8.2C22H27N9O.C22H24N8O2.C22H28N8O2.C21H23F3N8.C21H23N9.C21H26N8.C20H22F2N8.C20H23FN8.C19H23N9.C18H22N10/c1-3-21-27-23(30-24(28-21)32-15-13-31(2)14-16-32)29-22-25-12-11-20(26-22)19-10-6-8-17-7-4-5-9-18(17)19;1-4-19-26-21(29-22(27-19)31-13-11-30(3)12-14-31)28-20-23-10-9-18(25-20)16-5-7-17(8-6-16)24-15(2)32;1-4-19-26-21(29-22(27-19)31-12-10-30(3)11-13-31)28-20-23-9-8-18(25-20)16-6-5-7-17(14-16)24-15(2)32;1-2-19-26-21(29-22(27-19)30-9-7-23-8-10-30)28-20-24-6-5-17(25-20)14-3-4-18-15(11-14)12-16(31)13-32-18;1-3-19-25-21(28-22(26-19)30-10-8-29(2)9-11-30)27-20-23-7-6-18(24-20)15-4-5-16(13-31)17(12-15)14-32;1-3-17-27-19(30-20(28-17)32-11-9-31(2)10-12-32)29-18-25-8-7-16(26-18)14-5-4-6-15(13-14)21(22,23)24;1-4-18-25-20(28-21(26-18)30-13-11-29(3)12-14-30)27-19-23-10-9-17(24-19)15-5-7-16(22-2)8-6-15;1-4-18-24-20(27-21(25-18)29-13-11-28(3)12-14-29)26-19-22-10-9-17(23-19)16-7-5-15(2)6-8-16;1-3-17-25-19(28-20(26-17)30-10-8-29(2)9-11-30)27-18-23-7-6-16(24-18)14-5-4-13(21)12-15(14)22;1-3-17-24-19(27-20(25-17)29-12-10-28(2)11-13-29)26-18-22-9-8-16(23-18)14-4-6-15(21)7-5-14;1-3-16-23-18(26-19(24-16)28-12-10-27(2)11-13-28)25-17-21-9-6-15(22-17)14-4-7-20-8-5-14;1-3-15-23-17(26-18(24-15)28-10-8-27(2)9-11-28)25-16-21-5-4-13(22-16)14-12-19-6-7-20-14/h4-12H,3,13-16H2,1-2H3,(H,25,26,27,28,29,30);5-10H,4,11-14H2,1-3H3,(H,24,32)(H,23,25,26,27,28,29);5-9,14H,4,10-13H2,1-3H3,(H,24,32)(H,23,25,26,27,28,29);3-6,11,23H,2,7-10,12-13H2,1H3,(H,24,25,26,27,28,29);4-7,12,31-32H,3,8-11,13-14H2,1-2H3,(H,23,24,25,26,27,28);4-8,13H,3,9-12H2,1-2H3,(H,25,26,27,28,29,30);5-10H,4,11-14H2,1,3H3,(H,23,24,25,26,27,28);5-10H,4,11-14H2,1-3H3,(H,22,23,24,25,26,27);4-7,12H,3,8-11H2,1-2H3,(H,23,24,25,26,27,28);4-9H,3,10-13H2,1-2H3,(H,22,23,24,25,26,27);4-9H,3,10-13H2,1-2H3,(H,21,22,23,24,25,26);4-7,12H,3,8-11H2,1-2H3,(H,21,22,23,24,25,26).

What are the key properties of N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one?

N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one has a molecular weight of 4961.82 g/mol, XLogP of 28.33, 64 rotatable bonds, 17 hydrogen bond donors, and 105 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,4-difluorophenyl)pyrimidin-2-yl]-4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-fluorophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-isocyanophenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-N-[4-(4-methylphenyl)pyrimidin-2-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-naphthalen-1-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyrazin-2-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;4-ethyl-6-(4-methylpiperazin-1-yl)-N-(4-pyridin-4-ylpyrimidin-2-yl)-1,3,5-triazin-2-amine;[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]methanol;N-[3-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]pyrimidin-4-yl]phenyl]acetamide;4-ethyl-6-(4-methylpiperazin-1-yl)-N-[4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-1,3,5-triazin-2-amine;6-[2-[(4-ethyl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]pyrimidin-4-yl]-4H-chromen-3-one is sourced from PubChem (CID 160678280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).